(phenylmethyl) 1-[1-(2-azanyl-4-methylsulfanyl-butanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[1-(2-azanyl-4-methylsulfanyl-butanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-[1-(2-amino-4-methylsulfanyl-butanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-[2-amino-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-[2-amino-4-(methylthio)butanoyl]prolyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H31N3O4S/c1-30-14-11-17(23)20(26)24-12-5-9-18(24)21(27)25-13-6-10-19(25)22(28)29-15-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15,23H2,1H3